[6-[(Z)-[(3aS,7R,7aS)-7-Hydroxy-4-oxo-3,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-[[(3S)-3-acetamido-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]-3,4-dihydroxy-tetrahydropyran-2-yl]methyl carbamate
AlkaPlorer ID: AK022397
Synonym: '6-(Z)-(3aS,7R,7aS)-7-hydroxy-4-oxo-3,3a,5,6,7,7a-hexahydro-1H-imidazo4,5-cpyridin-2-ylideneamino-5-(3S)-3-acetamido-6-(3S)-3,6-diaminohexanoylaminohexanoylamino-3,4-dihydroxy-tetrahydropyran-2-ylmethyl carbamate', 'Not named'
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-acetamido-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]-3,4-dihydroxyoxan-2-yl]methyl carbamate
Structure
SMILES: CC(O)=N[C@@H](CCCN=C(O)C[C@@H](N)CCCN)CC(O)=N[C@@H]1[C@H](O)[C@@H](O)[C@@H](COC(=N)O)O[C@H]1NC1=N[C@@H]2[C@H](O)CN=C(O)[C@H]2N1
InChI: InChI=1S/C27H48N10O10/c1-12(38)33-14(5-3-7-31-17(40)8-13(29)4-2-6-28)9-18(41)34-21-23(43)22(42)16(11-46-26(30)45)47-25(21)37-27-35-19-15(39)10-32-24(44)20(19)36-27/h13-16,19-23,25,39,42-43H,2-11,28-29H2,1H3,(H2,30,45)(H,31,40)(H,32,44)(H,33,38)(H,34,41)(H2,35,36,37)/t13-,14-,15+,16+,19+,20-,21+,22-,23-,25+/m0/s1
InChIKey: WJRALRAIXBIBCJ-IVVRDDJBSA-N
Reference
Three new 12-carbamoylated streptothricins from Streptomyces sp. I08A 1776
PubChem CID: 70693300
LOTUS: LTS0198080
NPASS: NPC189854
{NPAtlas: NPA002076
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. I08A 1776 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 672.7410000000001
TPSA？: 342.04999999999995
MolLogP？: -2.187329999999992
Number of H-Donors: 13
Number of H-Acceptors: 15
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 128.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Candida albicans | Candida albicans | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Escherichia coli | Escherichia coli | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Morganella morganii | Morganella morganii | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | nan | None | 10.1016/j.bmcl.2012.08.003 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 256.0 | ug.mL-1 | 10.1016/j.bmcl.2012.08.003 |